etomica.api
Interface IIntegrator

All Known Implementing Classes:

Integrator, IntegratorAnalytic, IntegratorBox, IntegratorConNVT, IntegratorDimerApproach, IntegratorGear4, IntegratorGear4NPH, IntegratorGEMC, IntegratorHard, IntegratorHardField, IntegratorManagerMC, IntegratorMC, IntegratorMD, IntegratorPT, IntegratorRigidIterative, IntegratorRigidMatrixIterative, IntegratorVelocityVerlet, IntegratorVelocityVerletRattle, IntegratorVelocityVerletShake, IntegratorVerlet

public interface IIntegrator

Method Summary

void	doStep() Performs the elementary integration step, such as a molecular dynamics time step, or a Monte Carlo trial.
IIntegratorEventManager	getEventManager()
long	getStepCount() Returns the number of steps performed by the integrator since it was initialized.
void	reset() Defines the actions taken by the integrator to reset itself, such as required if a perturbation is applied to the simulated box (e.g., addition or deletion of a molecule).
void	resetStepCount() This method resets the step counter.

Method Detail

doStep

void doStep()

Performs the elementary integration step, such as a molecular dynamics time step, or a Monte Carlo trial.

getStepCount

long getStepCount()

Returns the number of steps performed by the integrator since it was initialized.

reset

void reset()

Defines the actions taken by the integrator to reset itself, such as required if a perturbation is applied to the simulated box (e.g., addition or deletion of a molecule). Also invoked when the integrator is started or initialized.

resetStepCount

void resetStepCount()

This method resets the step counter.

getEventManager

IIntegratorEventManager getEventManager()